BDBM50040356 8-Amino-1,3-bis-cyclopropylmethyl-7-(4-methoxy-benzenesulfonyl)-3,7-dihydro-purine-2,6-dione::CHEMBL436402

SMILES: COc1ccc(cc1)S(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12

InChI Key: InChIKey=ZFBUNDXUFCHSSI-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040356   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50040356 (8-Amino-1,3-bis-cyclopropylmethyl-7-(4-methoxy-ben...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12 Show InChI InChI=1S/C20H23N5O5S/c1-30-14-6-8-15(9-7-14)31(28,29)25-16-17(22-19(25)21)23(10-12-2-3-12)20(27)24(18(16)26)11-13-4-5-13/h6-9,12-13H,2-5,10-11H2,1H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme at 100 microM.				J Med Chem 37: 476-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26X6N
					More data for this Ligand-Target Pair